SCHEMBL5456499

SCHEMBL5456499

CCCCC1CCN(CCCn2cc(C(C)=O)c3cc(OC)ccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.50
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
HRH2 P25021 2/20 0.45
ACHE P22303 2/20 0.44
HTR4 Q13639 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
CHRM3 P20309 1/20 0.44
DRD4 P21917 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5446375 0.94 CNR2 (0.50) CNR2HTR2AHTR2CHTR2BACHE
SCHEMBL5455150 0.91 CHRM1 (0.52) CNR2HTR2AHTR2CHTR2BHRH2
SCHEMBL5454553 0.88 HTR2A (0.47) CNR2HTR2AHTR2CHTR2BHRH2
SCHEMBL5335371 0.84 CHRM1 (0.53) CNR2HRH2CHRM1CHRM2CHRM4
SCHEMBL5454517 0.82 CNR2 (0.54) CNR2CHRM1CHRM2CHRM4HTR1A
SCHEMBL14411198 0.81 CNR2 (0.49) CNR2HTR2AHTR2CHTR2BHRH2
SCHEMBL5460928 0.81 CNR2 (0.51) CNR2HTR2AHTR2CHTR2BHRH2
SCHEMBL5453982 0.81 CNR2 (0.49) CNR2HTR2AHTR2CHTR2BHRH2
SCHEMBL5448593 0.81 ACHE (0.50) CNR2HRH2ACHEHTR4CHRM1
SCHEMBL5460381 0.81 HRH2 (0.57) CNR2HTR2AHTR2CHTR2BHRH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR CNR2 106/4885HTR2A 396/4885HTR2C 386/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.